2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide

C13H20F2N4O3S — CID 49066002

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C13H20F2N4O3S/c1-9-11(10(2)19(17-9)13(14)15)8-12(20)16-4-6-18-5-3-7-23(18,21)22/h13H,3-8H2,1-2H3,(H,16,20)
InChIKeyLVBNTJAXJWRUGC-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.59
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide (PubChem CID 49066002) has the molecular formula C13H20F2N4O3S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
PubChem CID49066002
Molecular FormulaC13H20F2N4O3S
Molecular Weight350.39 g/mol
Exact Mass350.12
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C13H20F2N4O3S/c1-9-11(10(2)19(17-9)13(14)15)8-12(20)16-4-6-18-5-3-7-23(18,21)22/h13H,3-8H2,1-2H3,(H,16,20)
InChIKeyLVBNTJAXJWRUGC-UHFFFAOYSA-N
XLogP0.59
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
CID 139005200
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
CID 48680303
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 127837157
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-2-ylmethyl)acetamide;hydrochloride
CID 86813758
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48680946
2-cyclopropyl-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119213672
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 146086741
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890802
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246060
N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
CID 49090622

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide (CID 49066002) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCCS1(=O)=O.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
The InChIKey is LVBNTJAXJWRUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O3S/c1-9-11(10(2)19(17-9)13(14)15)8-12(20)16-4-6-18-5-3-7-23(18,21)22/h13H,3-8H2,1-2H3,(H,16,20).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide has a molecular weight of 350.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 49066002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).